4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[1,3-dimethyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[2,6-diketo-1,3-dimethyl-7-(3-methylbenzyl)purin-8-yl]-N-phenyl-piperazine-1-carbothioamide Formula: C26H29N7O2S MolecularWeight: 503.61916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=S)NC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=S)NC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H29N7O2S/c1-18-8-7-9-19(16-18)17-33-21-22(29(2)26(35)30(3)23(21)34)28-24(33)31-12-14-32(15-13-31)25(36)27-20-10-5-4-6-11-20/h4-11,16H,12-15,17H2,1-3H3,(H,27,36)